SCHEMBL28516656

SCHEMBL28516656

CC(C)(C)c1cc(O)ccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
NR1I2 O75469 1/20 0.48
CYP2C9 P11712 1/20 0.48
MIF P14174 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 9/20 0.43
MAPK1 P28482 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
IDO1 P14902 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RARG P13631 3/20 0.39
RARA P10276 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30611015 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL9149513 0.86 ALDH1A1 (0.48) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL30611016 0.86 ALDH1A1 (0.52) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL28222240 0.86 ALDH1A1 (0.52) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL7879136 0.83 KDM4E (0.47) ALDH1A1LMNAHTTGAAKDM4E
SCHEMBL5083146 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL9698507 0.82 THRA (0.56) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL9699752 0.82 THRA (0.56) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL224388 0.82 THRA (0.56) ALDH1A1LMNAHTTNR1I2CYP2C9
SCHEMBL29386379 0.81 KDM4E (0.44) ALDH1A1LMNAHTTGAAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057536-B Low-nitrogen rectification polymerization inhibitor 中国石油化工股份有限公司 2024-04-09 CN claimed
CN-112295601-B Oxidation catalyst for styrene waste gas treatment and preparation method and application thereof 中国石油化工股份有限公司 2023-03-31 CN claimed
CN-112295386-B Activating agent for manganese dioxide generated in styrene waste gas treatment and application thereof 中国石油化工股份有限公司 2022-06-14 CN claimed
CN-114057229-A Activating agent and activation method of solid manganese dioxide slag 中国石油化工股份有限公司 2022-02-18 CN claimed
CN-114057536-A Low-nitrogen rectification polymerization inhibitor 中国石油化工股份有限公司 2022-02-18 CN claimed
CN-112295386-A Activating agent for manganese dioxide generated in styrene waste gas treatment and application thereof 中国石油化工股份有限公司 2021-02-02 CN claimed
CN-112295601-A Oxidation catalyst for treating styrene waste gas and preparation method and application thereof 中国石油化工股份有限公司 2021-02-02 CN claimed
CN-114057536-B Low-nitrogen rectification polymerization inhibitor 中国石油化工股份有限公司 2024-04-09 CN disclosed
CN-112295601-B Oxidation catalyst for styrene waste gas treatment and preparation method and application thereof 中国石油化工股份有限公司 2023-03-31 CN disclosed
CN-112295386-B Activating agent for manganese dioxide generated in styrene waste gas treatment and application thereof 中国石油化工股份有限公司 2022-06-14 CN disclosed
CN-114057229-A Activating agent and activation method of solid manganese dioxide slag 中国石油化工股份有限公司 2022-02-18 CN disclosed
CN-114057536-A Low-nitrogen rectification polymerization inhibitor 中国石油化工股份有限公司 2022-02-18 CN disclosed
CN-112295386-A Activating agent for manganese dioxide generated in styrene waste gas treatment and application thereof 中国石油化工股份有限公司 2021-02-02 CN disclosed
CN-112295601-A Oxidation catalyst for treating styrene waste gas and preparation method and application thereof 中国石油化工股份有限公司 2021-02-02 CN disclosed